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Compound Detail

CHEMBL103112

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O=C(Nc1[nH]nc2cc(-c3ccc(F)c(F)c3)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103112
Phase Preclinical
Structure Type MOL
InChI Key DTGPKFQJLDVXNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.86
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F2N3O
MW 313.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
12941333 10.1016/s0960-894x(03)00646-2 Glycogen synthase kinase-3 alpha 1
12941333 10.1016/s0960-894x(03)00646-2 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine